Information card for entry 7034653

Structure parameters

• Formula: C24 H58 Cl6 N8 O6
• Calculated formula: C24 H58 Cl6 N8 O6
• Title of publication: Correlation between the molecular structure and the kinetics of decomposition of azamacrocyclic copper(ii) complexes.
• Authors of publication: Acosta-Rueda, Laura; Delgado-Pinar, Estefanía; Pitarch-Jarque, Javier; Rodríguez, Alexis; Blasco, Salvador; González, Jorge; Basallote, Manuel G.; García-España, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8255 - 8266
• a: 6.8767 ± 0.0005 Å
• b: 12.3829 ± 0.0008 Å
• c: 12.4219 ± 0.0009 Å
• α: 63.161 ± 0.007°
• β: 89.271 ± 0.006°
• γ: 80.031 ± 0.005°
• Cell volume: 926.99 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No